7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one

C25H24N2O4 — CID 10273393

IUPAC7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
SMILESCOc1cccc(-c2ccc(C3=NN(C)C(=O)Cc4cc(OC)c(OC)cc43)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-27-24(28)14-19-13-22(30-3)23(31-4)15-21(19)25(26-27)17-10-8-16(9-11-17)18-6-5-7-20(12-18)29-2/h5-13,15H,14H2,1-4H3
InChIKeyIWMABSNJKZRWFO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.15
Rot. Bonds5

About 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one

7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one (PubChem CID 10273393) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
PubChem CID10273393
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
SMILESCOc1cccc(-c2ccc(C3=NN(C)C(=O)Cc4cc(OC)c(OC)cc43)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-27-24(28)14-19-13-22(30-3)23(31-4)15-21(19)25(26-27)17-10-8-16(9-11-17)18-6-5-7-20(12-18)29-2/h5-13,15H,14H2,1-4H3
InChIKeyIWMABSNJKZRWFO-UHFFFAOYSA-N
XLogP4.15
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-dimethoxy-1-[4-(4-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one
CID 67550645
7,8-dimethoxy-3-methyl-1-phenyl-5H-2,3-benzodiazepine-4-thione
CID 10520190
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
6-(3-aminophenyl)-8,9-dimethoxy-2,11-dihydro-[1,2,4]triazolo[4,3-c][2,3]benzodiazepin-3-one
CID 11792235
9,10-dimethoxy-7-phenyl-2,12-dihydro-[1,2,4]triazino[4,3-c][2,3]benzodiazepine-3,4-dione
CID 11824645
5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
CID 15145018
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
CID 112694568
7,8-dimethoxy-4-(4-methylphenyl)-1-phenyl-5H-2,3-benzodiazepine
CID 70081746
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one?
The IUPAC name of 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one (CID 10273393) is 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one.
What is the SMILES notation for 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one?
The canonical SMILES for 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one is COc1cccc(-c2ccc(C3=NN(C)C(=O)Cc4cc(OC)c(OC)cc43)cc2)c1.
What is the InChIKey of 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one?
The InChIKey is IWMABSNJKZRWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-27-24(28)14-19-13-22(30-3)23(31-4)15-21(19)25(26-27)17-10-8-16(9-11-17)18-6-5-7-20(12-18)29-2/h5-13,15H,14H2,1-4H3.
What are the key properties of 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one?
7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one has a molecular weight of 416.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-[4-(3-methoxyphenyl)phenyl]-3-methyl-5H-2,3-benzodiazepin-4-one is sourced from PubChem (CID 10273393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).